EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:79194 - (2E)-21-hydroxyhenicos-2-enoic acid

ChEBI IDCHEBI:79194
ChEBI Name(2E)-21-hydroxyhenicos-2-enoic acid
Stars
ASCII Name(2E)-21-hydroxyhenicos-2-enoic acid
DefinitionAn ω-hydroxy fatty acid that is 21-hydroxyhenicosanoic acid that has been dehydrogenated to introduce a trans double bond at the 2-3 position.
Last Modified24 January 2023
SubmitterGareth Owen
DownloadsMolfile
FormulaC21H40O3
Net Charge0
Average Mass340.548
Monoisotopic Mass340.29775
SMILESO=C(O)/C=C/CCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C21H40O3/c22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21(23)24/h17,19,22H,1-16,18,20H2,(H,23,24)/b19-17+
InChIKeyCKLPOWVYEZATJE-HTXNQAPBSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(2E)-21-hydroxyhenicos-2-enoic acid (CHEBI:79194) is a hydroxy monounsaturated fatty acid (CHEBI:131869)
(2E)-21-hydroxyhenicos-2-enoic acid (CHEBI:79194) is a straight-chain fatty acid (CHEBI:59202)
(2E)-21-hydroxyhenicos-2-enoic acid (CHEBI:79194) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
(2E)-21-hydroxyhenicos-2-enoic acid (CHEBI:79194) is a ω-hydroxy-long-chain fatty acid (CHEBI:140997)
Incoming Relation(s)
oscr#37 (CHEBI:79159) has functional parent (2E)-21-hydroxyhenicos-2-enoic acid (CHEBI:79194)
IUPAC Name 
(2E)-21-hydroxyhenicos-2-enoic acid
Synonyms  Source
(2E)-ω-hydroxyhenicos-2-enoic acidChEBI
(2E)-21-hydroxyheneicos-2-enoic acidChEBI
(2E)-ω-hydroxyheneicos-2-enoic acidChEBI